3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide

C19H17N7O — CID 25138040

IUPAC3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCn1ncc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21
InChIInChI=1S/C19H17N7O/c1-26-16-10-15(6-5-13(16)11-22-26)23-17-7-8-21-19(25-17)24-14-4-2-3-12(9-14)18(20)27/h2-11H,1H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyXYQHFANSFNCIJR-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.95
Rot. Bonds5

About 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide

3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 25138040) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID25138040
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCn1ncc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21
InChIInChI=1S/C19H17N7O/c1-26-16-10-15(6-5-13(16)11-22-26)23-17-7-8-21-19(25-17)24-14-4-2-3-12(9-14)18(20)27/h2-11H,1H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyXYQHFANSFNCIJR-UHFFFAOYSA-N
XLogP2.95
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 25138040) is 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide is Cn1ncc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21.
What is the InChIKey of 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is XYQHFANSFNCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-26-16-10-15(6-5-13(16)11-22-26)23-17-7-8-21-19(25-17)24-14-4-2-3-12(9-14)18(20)27/h2-11H,1H3,(H2,20,27)(H2,21,23,24,25).
What are the key properties of 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).